[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H21BrO4/c1-14(2)15-4-6-16(7-5-15)19(23)13-26-21(24)11-8-17-12-18(22)9-10-20(17)25-3/h4-12,14H,13H2,1-3H3/b11-8+